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pacstk.version is not found #8

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Jacyll1 opened this issue Nov 28, 2024 · 1 comment
Open

pacstk.version is not found #8

Jacyll1 opened this issue Nov 28, 2024 · 1 comment

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@Jacyll1
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Jacyll1 commented Nov 28, 2024

Hello, when running the command: pacs genrepresent cpptraj -t 20 -trj prd.nc -top complex.parm7,
an error message appears:
ERROR 2024-11-27 09:52:01 [ parser.py - check_version ] Version file: ./trial020/pacstk.version is not found, How to fix the issue?

@th2ch-g
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th2ch-g commented Nov 29, 2024

Since v1.1.0, pacstk now does a version check and will cause an error if the version is not the same as the pacs command. This is because pacstk does not always guarantee backwards compatibility: if you do not have a pacstk.version file, you probably ran mdrun with v1.0.0, so run pacs genrepresent again with a pacstk of v1.0.0. You can install v1.0.0 with the following command.

pip install "pacs[all] @ git+https://github.com/Kitaolab/PaCS-Toolkit.git@v1.0.0"

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